Information card for entry 2235118

Structure parameters

• Chemical name: 4-[(<i>E</i>)-2-(2-Chlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride dihydrate
• Formula: C16 H17 Cl2 N3 O2
• Calculated formula: C16 H17 Cl2 N3 O2
• Title of publication: 4-[(<i>E</i>)-2-(2-Chlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride dihydrate
• Authors of publication: Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.; de Ferreira, Marcelle; de Souza, Marcus V. N.; Kaiser, Carlos R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1850 - o1851
• a: 4.5946 ± 0.0003 Å
• b: 20.155 ± 0.0019 Å
• c: 18.2192 ± 0.0017 Å
• α: 90°
• β: 96.66 ± 0.005°
• γ: 90°
• Cell volume: 1675.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2001
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes